| CAS Number | 1138445-06-3 |
| Catalog Number | AG01FODW(AGN-PC-0WC0BE) |
| Chemical Name | 2-(1,1-Difluoroethyl)-1,3-difluorobenzene |
| IUPAC Name | 2-(1,1-difluoroethyl)-1,3-difluorobenzene |
| InChI | InChI=1S/C8H6F4/c1-8(11,12)7-5(9)3-2-4-6(7)10/h2-4H,1H3 |
| InChI Key | KTRFARQLXKMSPA-UHFFFAOYSA-N |
| MDL Number | MFCD11845808 |
| Molecular Formula | C8H6F4 |
| Molecular Weight | 178.1269 |
| SMILES | Fc1cccc(c1C(F)(F)C)F |
| Synonyms | 2-(1,1-DIFLUOROETHYL)-1,3-DIFLUOROBENZENE,
1138445-06-3,
SCHEMBL17117581,
CTK7C2167,
BBL104038,
STL557852,
ZINC66330533,
AKOS005256148,
TR-057129,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.13g/mol |
| Monoisotopic Mass | 178.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number